Geometry & MOs

Info

ID:	433990
PubChem CID:	135174140
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	538.245741
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	1.88
IP(EA), eV:	-8.2(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[[2-methyl-1-[(2-methylphenyl)methoxy]propan-2-yl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)OCC=C)CNCC3CNC3)OC

DOS

IR

Vibrations